Crystallography Open Database

Information card for entry 7135422

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Coordinates	7135422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cl F6 N2 O P Ru
Calculated formula	C16 H20 Cl F6 N2 O P Ru
Title of publication	Hydride-Mediated Ammonia Borane Dehydrogenation in Water by Arene-Ru(II) Catalysts Revealed through Real-Time Gas Evolution
Authors of publication	Natarajan, Thillai M.; Padhi, Sumanta Kumar
Journal of publication	Chemical Communications
Year of publication	2026
a	11.3484 ± 0.0005 Å
b	15.5897 ± 0.0006 Å
c	11.7304 ± 0.0005 Å
α	90°
β	110.02 ± 0.005°
γ	90°
Cell volume	1949.92 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	0.9757
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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